Chemical Properties of Benzene, (2-chloro-1-methylethyl)- (CAS 824-47-5)

InChI

InChI=1S/C9H11Cl/c1-8(7-10)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3

InChI Key

SXVRSCIZJBGJGB-UHFFFAOYSA-N

Formula

C9H11Cl

SMILES

CC(CCl)c1ccccc1

Molecular Weight¹

154.64

CAS

824-47-5

Other Names

• (2-Chloro-1-methylethyl)benzene
• («beta»-Chloroisopropyl)benzene
• («beta»-Chloroisopropyl)benzene
• 1-Chloro-2-phenylpropane
• Benzene, [1-(chloromethyl)ethyl]
• Cumene, «beta»-chloro-
• Cumene, «beta»-chloro-
• «beta»-Chlorocumene
• «beta»-Chlorocumene

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	122.94	kJ/mol	Joback Calculated Property
ΔfH°gas	-13.58	kJ/mol	Joback Calculated Property
ΔfusH°	13.78	kJ/mol	Joback Calculated Property
ΔvapH°	41.90	kJ/mol	Joback Calculated Property
log10WS	-2.81		Crippen Calculated Property
logPoct/wat	3.029		Crippen Calculated Property
McVol	126.150	ml/mol	McGowan Calculated Property
Pc	3156.17	kPa	Joback Calculated Property
Inp	[1131.00; 1152.00]
Inp	1152.00		NIST
Inp	1131.00		NIST
Inp	1152.00		NIST
Tboil	468.99	K	Joback Calculated Property
Tc	687.77	K	Joback Calculated Property
Tfus	232.53	K	Joback Calculated Property
Vc	0.474	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[242.63; 313.15]	J/mol×K	[468.99; 687.77]
Cp,gas	242.63	J/mol×K	468.99	Joback Calculated Property
Cp,gas	256.41	J/mol×K	505.45	Joback Calculated Property
Cp,gas	269.33	J/mol×K	541.92	Joback Calculated Property
Cp,gas	281.43	J/mol×K	578.38	Joback Calculated Property
Cp,gas	292.74	J/mol×K	614.85	Joback Calculated Property
Cp,gas	303.30	J/mol×K	651.31	Joback Calculated Property
Cp,gas	313.15	J/mol×K	687.77	Joback Calculated Property
η	[0.0002441; 0.0050859]	Pa×s	[232.53; 468.99]
η	0.0050859	Pa×s	232.53	Joback Calculated Property
η	0.0021248	Pa×s	271.94	Joback Calculated Property
η	0.0011072	Pa×s	311.35	Joback Calculated Property
η	0.0006679	Pa×s	350.76	Joback Calculated Property
η	0.0004463	Pa×s	390.17	Joback Calculated Property
η	0.0003211	Pa×s	429.58	Joback Calculated Property
η	0.0002441	Pa×s	468.99	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[355.57; 521.02]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.38272e+01
Coefficient B			-3.79701e+03
Coefficient C			-7.51370e+01
Temperature range, min.			355.57
Temperature range, max.			521.02
Pvap	1.33	kPa	355.57	Calculated Property
Pvap	3.07	kPa	373.95	Calculated Property
Pvap	6.40	kPa	392.34	Calculated Property
Pvap	12.34	kPa	410.72	Calculated Property
Pvap	22.20	kPa	429.10	Calculated Property
Pvap	37.71	kPa	447.49	Calculated Property
Pvap	60.92	kPa	465.87	Calculated Property
Pvap	94.28	kPa	484.25	Calculated Property
Pvap	140.52	kPa	502.64	Calculated Property
Pvap	202.66	kPa	521.02	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, (2-chloro-1-methylethyl)-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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